Chemical Properties of Phenanthrene, 4-methyl- (CAS 832-64-4)

InChI

InChI=1S/C15H12/c1-11-5-4-7-13-10-9-12-6-2-3-8-14(12)15(11)13/h2-10H,1H3

InChI Key

LOCGAKKLRVLQAM-UHFFFAOYSA-N

Formula

C15H12

SMILES

Cc1cccc2ccc3ccccc3c12

Molecular Weight¹

192.26

CAS

832-64-4

Other Names

• 4-Methylphenanthrene

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• C_sat : Molar heat capacity at saturation pressure (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4608		Relay (1.0) Calculated Property
ΔcH°solid	-7720.05 ± 0.56	kJ/mol	NIST
ΔfG°	381.87	kJ/mol	Joback Calculated Property
ΔfH°gas	195.80 ± 1.10	kJ/mol	NIST
ΔfH°solid	102.42 ± 0.67	kJ/mol	NIST
ΔfusH°	21.91	kJ/mol	Joback Calculated Property
ΔsubH°	[93.40; 93.40]	kJ/mol
ΔsubH°	93.40	kJ/mol	NIST
ΔsubH°	93.40	kJ/mol	NIST
ΔvapH°	83.36	kJ/mol	Relay (1.0) Calculated Property
IE	[7.10; 7.70]	eV
IE	7.10 ± 0.10	eV	NIST
IE	7.70 ± 0.02	eV	NIST
IE	7.70 ± 0.02	eV	NIST
log10WS	-5.45		Relay (1.0) Calculated Property
logPoct/wat	4.301		Crippen Calculated Property
McVol	159.530	ml/mol	McGowan Calculated Property
Pc	2868.87	kPa	Joback Calculated Property
Inp	[321.82; 1959.00]
Inp	Outlier 1959.00		NIST
Inp	Outlier 1959.00		NIST
Inp	Outlier 1959.00		NIST
Inp	322.92		NIST
Inp	322.78		NIST
Inp	322.87		NIST
Inp	323.28		NIST
Inp	323.24		NIST
Inp	322.90		NIST
Inp	323.10		NIST
Inp	323.30		NIST
Inp	322.81		NIST
Inp	323.17		NIST
Inp	322.74		NIST
Inp	322.74		NIST
Inp	322.78		NIST
Inp	322.90		NIST
Inp	322.80		NIST
Inp	321.82		NIST
Inp	323.10		NIST
Inp	322.80		NIST
Inp	323.30		NIST
Inp	323.17		NIST
Inp	322.74		NIST
Inp	321.82		NIST
Inp	322.92		NIST
Inp	322.90		NIST
S°solid,1 bar	[244.55; 244.55]	J/mol×K
S°solid,1 bar	244.55	J/mol×K	NIST
S°solid,1 bar	244.55	J/mol×K	NIST
Tboil	615.93	K	Relay (1.0) Calculated Property
Tc	888.24	K	Relay (1.0) Calculated Property
Tfus	315.42	K	Relay (1.0) Calculated Property
Ttriple	[324.92; 324.92]	K
Ttriple	324.92 ± 0.01	K	NIST
Ttriple	324.92 ± 0.01	K	NIST
Vc	0.601	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[381.22; 456.90]	J/mol×K	[617.20; 866.35]
Cp,gas	381.22	J/mol×K	617.20	Joback Calculated Property
Cp,gas	396.50	J/mol×K	658.73	Joback Calculated Property
Cp,gas	410.54	J/mol×K	700.25	Joback Calculated Property
Cp,gas	423.46	J/mol×K	741.78	Joback Calculated Property
Cp,gas	435.41	J/mol×K	783.30	Joback Calculated Property
Cp,gas	446.52	J/mol×K	824.83	Joback Calculated Property
Cp,gas	456.90	J/mol×K	866.35	Joback Calculated Property
Cp,solid	[263.13; 263.13]	J/mol×K	[298.15; 298.15]
Cp,solid	263.13	J/mol×K	298.15	NIST
Cp,solid	263.13	J/mol×K	298.15	NIST
Csat	[303.20; 370.70]	J/mol×K	[330.00; 440.00]
Csat	303.20	J/mol×K	330.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	309.60	J/mol×K	340.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	316.00	J/mol×K	350.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	322.30	J/mol×K	360.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	328.50	J/mol×K	370.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	334.70	J/mol×K	380.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	340.90	J/mol×K	390.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	346.90	J/mol×K	400.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	353.00	J/mol×K	410.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	358.90	J/mol×K	420.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	364.90	J/mol×K	430.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	370.70	J/mol×K	440.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
η	[0.0004506; 0.0013574]	Pa×s	[375.67; 617.20]
η	0.0013574	Pa×s	375.67	Joback Calculated Property
η	0.0010334	Pa×s	415.93	Joback Calculated Property
η	0.0008255	Pa×s	456.18	Joback Calculated Property
η	0.0006839	Pa×s	496.44	Joback Calculated Property
η	0.0005828	Pa×s	536.69	Joback Calculated Property
η	0.0005079	Pa×s	576.95	Joback Calculated Property
η	0.0004506	Pa×s	617.20	Joback Calculated Property
ΔfusH	[0.02; 14.04]	kJ/mol	[182.00; 324.90]
ΔfusH	0.02	kJ/mol	182.00	NIST
ΔfusH	0.03	kJ/mol	295.00	NIST
ΔfusH	14.04	kJ/mol	324.90	NIST
ΔfusH	14.04	kJ/mol	324.90	NIST
ΔvapH	[61.60; 74.40]	kJ/mol	[507.50; 507.50]
ΔvapH	74.40 ± 0.20	kJ/mol	507.50	NIST
ΔvapH	71.80 ± 0.10	kJ/mol	507.50	NIST
ΔvapH	69.20 ± 0.10	kJ/mol	507.50	NIST
ΔvapH	66.70 ± 0.10	kJ/mol	507.50	NIST
ΔvapH	64.20 ± 0.10	kJ/mol	507.50	NIST
ΔvapH	61.60 ± 0.10	kJ/mol	507.50	NIST
ΔvapH	74.40 ± 0.20	kJ/mol	507.50	NIST
ΔvapH	71.80 ± 0.10	kJ/mol	507.50	NIST
ΔvapH	69.20 ± 0.10	kJ/mol	507.50	NIST
ΔvapH	66.70 ± 0.10	kJ/mol	507.50	NIST
ΔvapH	64.20 ± 0.10	kJ/mol	507.50	NIST
ΔvapH	61.60 ± 0.10	kJ/mol	507.50	NIST
ΔfusS	[0.11; 43.21]	J/mol×K	[182.00; 324.90]
ΔfusS	0.12	J/mol×K	182.00	NIST
ΔfusS	0.11	J/mol×K	295.00	NIST
ΔfusS	43.21	J/mol×K	324.90	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[462.00; 668.35]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.37620e+01
Coefficient B			-4.67696e+03
Coefficient C			-1.14900e+02
Temperature range, min.			462.00
Temperature range, max.			668.35
Pvap	1.33	kPa	462.00	Calculated Property
Pvap	3.07	kPa	484.93	Calculated Property
Pvap	6.42	kPa	507.86	Calculated Property
Pvap	12.38	kPa	530.78	Calculated Property
Pvap	22.28	kPa	553.71	Calculated Property
Pvap	37.83	kPa	576.64	Calculated Property
Pvap	61.08	kPa	599.57	Calculated Property
Pvap	94.45	kPa	622.49	Calculated Property
Pvap	140.64	kPa	645.42	Calculated Property
Pvap	202.64	kPa	668.35	Calculated Property

Similar Compounds

Find more compounds similar to Phenanthrene, 4-methyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure
• Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD

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